Molecule

ID:90066

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O₂
Molecular Mass
160.21414
Exact Mass
160.12117776
Charge
0
InChI
InChI=1S/C7H16N2O2/c8-5-7(10)6-9-1-3-11-4-2-9/h7,10H,1-6,8H2/t7-/m1/s1
InChIKey
YSGPOQDTHDLUGE-SSDOTTSWSA-N
Canonic Smiles
NC[C@H](CN1CCOCC1)O
Isomeric Smiles
N1(C[C@@H](CN)O)CCOCC1
Calculated Properties
JChem
Acid pKa
14.532986
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.286327
LogD (pH = 7.4)
-3.590774
Log P
-1.4556497
Molar Refractivity
42.9749
Polarizability
17.269913
Polar Surface Area
58.72
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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